Molecule

ID:47615

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c13-10-6-5-7-11(14)12(10)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9,14H2
InChIKey
YSVDTHKLBWGWFH-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCCCCC1)Cl
Isomeric Smiles
c1(N2CCCCCC2)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.147274
LogD (pH = 7.4)
3.1512916
Log P
3.151343
Molar Refractivity
66.7348
Polarizability
24.793835
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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